Basic information
- CAS
67247-33-0- Standard SMILES
CC(C)(C)NCC(O)COc1ccc(I)c2c1CC(O)C(O)C2- InChIKey
IFXJJIJUWOQAGG-UHFFFAOYSA-N- Molecular formula
- C17H26INO4
- Average molar mass
- 435.3 g/mol
Names & identifiers
- Preferred name
- CID 12445680
- IUPAC
- 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-iodo-1,2,3,4-tetrahydronaphthalene-2,3-diol
- English name
- Nadolol EP impurity E
- Molecular formula
- C17H26INO4
- Molecular weight
- 435.3
Names & synonyms
dololEPImpurityENadolol EP impurity E2,3-Naphthalenediol, 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-8-iodo-
Database identifiers
- CAS
67247-33-0
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Boiling point
- 583 · 583.0±50.0 °C(Predicted)
- Density
- 1.543 · 1.543±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.84 · 13.84±0.20(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
Uses8-Iodo (2R,3S)-rel-Nadolol is an impurity of Nadolol (N201050), a b-Adrenergic blocker. Antihypertensive; antianginal.
Suppliers3 total
济南百隆化学有限公司[email protected] · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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